NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.96
Van der Waals volume 398.51
Polar Surface Area 110.38
Van der Waals Surface Area 589.97
Refractivity 130.04

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ELEMENTAL PROPERTIESExact Mass 454.142
Isotope Formula C28H22O6
Dot Disconnected Formula C28H22O6
Dot Disconnected Isotope Formula C28H22O6
Composition C (74%), H (4.88%), O (21.12%)
Isotope Composition C (74%), H (4.88%), O (21.12%)
Donor Sites 5
Donor Count 5
Acceptor Sites 6
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count56
Aliphatic Atom Count 10
Aliphatic Bond Count 14
Aromatic Bond Count 24
Asymmetric Atom Count 2
Bond Count 60
Chain Atom Count 7
Chain Bond Count 10
Chiral Center Count 2
Ring Atom Count 27
Ring Bond Count 28
Rotatable Bond Count 4
Stereo Double Bond Count 1
Aliphatic Ring Count 1
Aromatic Ring Count 4
Carbo Ring Count 4
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 4
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 1

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.